2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

C18H25N5O2 — CID 72865913

IUPAC2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(OC2CCN(c3cc(NCCO)nc(N)n3)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-13-2-4-14(5-3-13)25-15-6-9-23(10-7-15)17-12-16(20-8-11-24)21-18(19)22-17/h2-5,12,15,24H,6-11H2,1H3,(H3,19,20,21,22)
InChIKeyAWGYUOVOCGMOFR-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.82
Rot. Bonds6

About 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 72865913) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID72865913
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(OC2CCN(c3cc(NCCO)nc(N)n3)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-13-2-4-14(5-3-13)25-15-6-9-23(10-7-15)17-12-16(20-8-11-24)21-18(19)22-17/h2-5,12,15,24H,6-11H2,1H3,(H3,19,20,21,22)
InChIKeyAWGYUOVOCGMOFR-UHFFFAOYSA-N
XLogP1.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (CID 72865913) is 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is Cc1ccc(OC2CCN(c3cc(NCCO)nc(N)n3)CC2)cc1.
What is the InChIKey of 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is AWGYUOVOCGMOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-2-4-14(5-3-13)25-15-6-9-23(10-7-15)17-12-16(20-8-11-24)21-18(19)22-17/h2-5,12,15,24H,6-11H2,1H3,(H3,19,20,21,22).
What are the key properties of 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 343.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 72865913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).